Detailed information for compound 1566959

Basic information

Technical information
  • TDR Targets ID: 1566959
  • Name: 1-(hydroxy-phenylmethyl)-2,3-di(phenyl)indoli zine-7-carbonitrile
  • MW: 400.471 | Formula: C28H20N2O
  • H donors: 1 H acceptors: 2 LogP: 6.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccn2c(c1)c(C(c1ccccc1)O)c(c2c1ccccc1)c1ccccc1
  • InChi: 1S/C28H20N2O/c29-19-20-16-17-30-24(18-20)26(28(31)23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)27(30)22-12-6-2-7-13-22/h1-18,28,31H
  • InChiKey: DQBDSXRCYBPWIB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(hydroxy-phenyl-methyl)-2,3-di(phenyl)indolizine-7-carbonitrile
  • 1-(hydroxy-phenylmethyl)-2,3-di(phenyl)-7-indolizinecarbonitrile
  • 7-Cyano-2,3-diphenyl-1-(alpha-hydroxybenzyl)indolizine
  • AIDS-101430
  • AIDS101430

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni intermediate filament proteins 0.0063 0.0416 0.1613
Brugia malayi hypothetical protein 0.0045 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0036 0.0031 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0303 0.1138
Echinococcus multilocularis lamin 0.0063 0.0416 0.1613
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0198 0.2355 0.9721
Brugia malayi Intermediate filament tail domain containing protein 0.0063 0.0416 0.0416
Echinococcus granulosus lipoxygenase domain containing protein 0.0045 0.0165 0.0636
Schistosoma mansoni polycystin 1-related 0.0045 0.0165 0.0563
Schistosoma mansoni hypothetical protein 0.0061 0.0393 0.1513
Schistosoma mansoni hypothetical protein 0.0203 0.2422 1
Onchocerca volvulus 0.0283 0.3577 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0045 0.0165 0.0636
Schistosoma mansoni loxhd1 0.0045 0.0165 0.0563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0303 0.1207
Brugia malayi hypothetical protein 0.0045 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.0045 0.0165 0.0165
Echinococcus multilocularis geminin 0.0203 0.2422 1
Loa Loa (eye worm) doublecortin family protein 0.0045 0.0165 0.0165
Schistosoma mansoni hypothetical protein 0.0203 0.2422 1
Echinococcus granulosus lamin dm0 0.0063 0.0416 0.1678
Loa Loa (eye worm) runx1 0.0049 0.0222 0.0222
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0063 0.0416 0.0416
Echinococcus multilocularis Protein lozenge 0.0049 0.0222 0.08
Loa Loa (eye worm) hypothetical protein 0.0045 0.0165 0.0165
Echinococcus multilocularis lipoxygenase domain containing protein 0.0045 0.0165 0.0563
Echinococcus granulosus Polycystic kidney disease protein 0.0045 0.0165 0.0636
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0303 0.1138
Schistosoma mansoni lamin 0.0063 0.0416 0.1613
Echinococcus granulosus lamin 0.0063 0.0416 0.1678
Loa Loa (eye worm) hypothetical protein 0.0063 0.0416 0.0416
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0303 0.1207
Plasmodium vivax multidomain scavenger receptor, putative 0.0045 0.0165 1
Loa Loa (eye worm) hypothetical protein 0.0732 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0303 0.1138
Onchocerca volvulus 0.0045 0.0165 0.0379
Echinococcus multilocularis lamin dm0 0.0063 0.0416 0.1613
Brugia malayi Pre-SET motif family protein 0.0036 0.0031 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0303 0.1138
Onchocerca volvulus 0.0063 0.0416 0.1087
Echinococcus granulosus geminin 0.0203 0.2422 1
Echinococcus multilocularis musashi 0.0063 0.0416 0.1613
Echinococcus multilocularis lipoxygenase domain containing protein 0.0045 0.0165 0.0563
Schistosoma mansoni lipoxygenase 0.0117 0.1193 0.486
Echinococcus multilocularis Polycystic kidney disease protein 0.0045 0.0165 0.0563
Trichomonas vaginalis set domain proteins, putative 0.0283 0.3577 0.5
Schistosoma mansoni lamin 0.0063 0.0416 0.1613
Onchocerca volvulus 0.0045 0.0165 0.0379
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0031 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0045 0.0165 0.5
Loa Loa (eye worm) intermediate filament protein 0.0063 0.0416 0.0416
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0031 0.0078
Loa Loa (eye worm) hypothetical protein 0.0732 1 1
Brugia malayi Doublecortin family protein 0.0045 0.0165 0.0165
Brugia malayi Pre-SET motif family protein 0.0249 0.3084 0.3084
Schistosoma mansoni rab6-interacting 0.0045 0.0165 0.0563
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0398 0.5214 1
Schistosoma mansoni lipoxygenase 0.0198 0.2355 0.9721
Brugia malayi intermediate filament protein 0.0063 0.0416 0.0416
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.3084 0.3084
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0198 0.2355 0.9724
Echinococcus multilocularis RUN 0.0045 0.0165 0.0563
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0303 0.1138
Schistosoma mansoni hypothetical protein 0.0045 0.0165 0.0563
Giardia lamblia DNA repair protein RAD52 0.0398 0.5214 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0303 0.0303
Schistosoma mansoni lozenge 0.0049 0.0222 0.08
Echinococcus granulosus intermediate filament protein 0.0063 0.0416 0.1678
Loa Loa (eye worm) hypothetical protein 0.0061 0.04 0.04
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0732 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0303 0.0303
Schistosoma mansoni rab6-interacting 0.0045 0.0165 0.0563
Echinococcus granulosus RUN 0.0045 0.0165 0.0636
Onchocerca volvulus 0.0063 0.0416 0.1087

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 48 uM Inhibition of rabbit reticulocytes arachidonate 15-lipoxygenase ChEMBL. 21937153
Inhibition (functional) = 100 % Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 at 6.25 ug/mL by microplate alamar blue assay ChEMBL. 21937153
MIC (functional) = 2.3 ug ml-1 Antiplasmodial activity against Plasmodium falciparum ChEMBL. 21937153
MIC (functional) = 2.3 ug ml-1 Antileishmanial activity against Leishmania donovani ChEMBL. 21937153
MIC (functional) = 3.2 ug ml-1 Antitrypanosomal activity against Trypanosoma cruzi ChEMBL. 21937153
MIC (functional) = 6.25 ug ml-1 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate alamar blue assay ChEMBL. 21937153
MIC (functional) = 12 ug ml-1 Antitrypanosomal activity against Trypanosoma brucei rhodesiense ChEMBL. 21937153

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.